2-[[4-[(2-butylphenyl)methoxymethyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfonyl-butanoic acid

Systemtic Name: 2-[[4-[(2-butylphenyl)methoxymethyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfonyl-butanoic acid Openeye Name: 2-[[4-[(2-butylphenyl)methoxymethyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfonyl-butanoic acid CAS Name: 2-[[[4-[(2-butylphenyl)methoxymethyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-methylsulfonylbutanoic acid IUPAC Name: 2-[[4-[(2-butylphenyl)methoxymethyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfonylbutanoic acid Traditional Name: 2-[[4-[(2-butylbenzyl)oxymethyl]-2-(o-tolyl)benzoyl]amino]-4-mesyl-butyric acid Formula: C31H37NO6S MolecularWeight: 551.69358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC=C1COCC2=CC(=C(C=C2)C(=O)NC(CCS(=O)(=O)C)C(=O)O)C3=CC=CC=C3C

Isomeric SMILES

CCCCC1=CC=CC=C1COCC2=CC(=C(C=C2)C(=O)NC(CCS(=O)(=O)C)C(=O)O)C3=CC=CC=C3C

InChI

InChI=1S/C31H37NO6S/c1-4-5-11-24-12-7-8-13-25(24)21-38-20-23-15-16-27(28(19-23)26-14-9-6-10-22(26)2)30(33)32-29(31(34)35)17-18-39(3,36)37/h6-10,12-16,19,29H,4-5,11,17-18,20-21H2,1-3H3,(H,32,33)(H,34,35)